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1228088-30-9,MFCD31706224
Catalog No.:AA01FVGF

1228088-30-9 | Balovaptan

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97%
in stock  
$28.00   $19.00
- +
10mg
97%
in stock  
$101.00   $71.00
- +
25mg
97%
in stock  
$170.00   $119.00
- +
50mg
97%
in stock  
$275.00   $192.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01FVGF
Chemical Name:
Balovaptan
CAS Number:
1228088-30-9
Molecular Formula:
C22H24ClN5O
Molecular Weight:
409.9119
MDL Number:
MFCD31706224
SMILES:
CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1
Properties
Computed Properties
 
Complexity:
545  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

1228087-48-6   
7-chloro-4-methyl-3,5-dihydro-1,4-benzodiazepin-2-aminedihydrochloride 
  1228088-30-9 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1Locationinpatent:Page/Pagecolumn35

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

trans-4-(2-pyridyloxy)cyclohexanecarboxylicacid 
  1228088-30-9 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

Literature

Title: Ratni H, et al. Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach. J Med Chem. 2015 Mar 12;58(5):2275-89.

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SDS
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Tags:1228088-30-9 Molecular Formula|1228088-30-9 MDL|1228088-30-9 SMILES|1228088-30-9 Balovaptan
Catalog No.: AA01FVGF
1228088-30-9,MFCD31706224
1228088-30-9 | Balovaptan
Pack Size： 1mg
Purity： 97%
in stock
$28.00 $19.00
Pack Size： 10mg
Purity： 97%
in stock
$101.00 $71.00
Pack Size： 25mg
Purity： 97%
in stock
$170.00 $119.00
Pack Size： 50mg
Purity： 97%
in stock
$275.00 $192.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01FVGF
Chemical Name: Balovaptan
CAS Number: 1228088-30-9
Molecular Formula: C22H24ClN5O
Molecular Weight: 409.9119
MDL Number: MFCD31706224
SMILES: CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1
Properties
Complexity: 545  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
1228087-48-6    1228088-30-9 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

1228087-48-6   
7-chloro-4-methyl-3,5-dihydro-1,4-benzodiazepin-2-aminedihydrochloride 
  1228088-30-9 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1Locationinpatent:Page/Pagecolumn35

3685-26-5    1228088-30-9 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

trans-4-(2-pyridyloxy)cyclohexanecarboxylicacid 
  1228088-30-9 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2015/82370,2015,A1

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